SCHEMBL19007014

SCHEMBL19007014

CC(C)c1ccc(C(C(=O)O)c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.52
CYP2D6 P10635 1/20 0.52
HIF1A Q16665 1/20 0.52
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
POLB P06746 2/20 0.49
USP5 P45974 1/20 0.48
TYR P14679 2/20 0.46
PTGS2 P35354 4/20 0.43
KIF11 P52732 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CNR2 P34972 1/20 0.42
HTT P42858 1/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGS1 P23219 3/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrogen Peroxide SCHEMBL461155 0.81 TYR (0.55) CYP2C9CYP2D6HIF1AKDM4EMAPK1
Hydrogen Peroxide SCHEMBL182135 0.81 TYR (0.55) CYP2C9CYP2D6HIF1AKDM4EMAPK1
Hydrogen Peroxide SCHEMBL20915049 0.81 TYR (0.55) CYP2C9CYP2D6HIF1AKDM4EMAPK1
SCHEMBL11417507 0.81 TDP1 (0.45) CYP2D6HIF1AKDM4EMAPK1POLB
SCHEMBL9494308 0.80 SRC (0.61) CYP2C9CYP2D6HIF1AKDM4EMAPK1
SCHEMBL6551674 0.80 PTGS2 (0.65) CYP2C9CYP2D6HIF1AKDM4EMAPK1
SCHEMBL4651605 0.80 PTGS2 (0.65) CYP2C9CYP2D6HIF1AKDM4EMAPK1
SCHEMBL1502454 0.80 ALDH1A1 (0.48) POLBSMN1; SMN2CNR2LMNAMEN1
SCHEMBL467546 0.80 HDAC4 (0.59) CYP2C9CYP2D6POLBCNR2LMNA
SCHEMBL4761563 0.80 CNR2 (0.47) CYP2C9CYP2D6HIF1AKDM4EPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170172970-A1 VECTOR DELIVERY-BASED MICROBICIDES RUSH UNIVERSITY MEDICAL CENTER (US) 2017-06-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170172970-A1 VECTOR DELIVERY-BASED MICROBICIDES NOX1, NOS1, NOS2 CYP2C9 844/4885CYP2D6 987/4885HIF1A 1862/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.